Mol:FL3FE9GS0003

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Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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  9 12  1  0  0  0  0
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 19 20  1  1  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
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 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
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 21 27  1  0  0  0  0
 27  2  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 23 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  30  31  32
M  SBL   1  1  35
M  SMT   1 ^COOH
M  SBV   1  35    0.6645   -0.6491
S  SKP  5
ID	FL3FE9GS0003
FORMULA	C21H18O11
EXACTMASS	446.084911418
AVERAGEMASS	446.36102
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)c(O)cc(O2)c(C(=O)C=C(c(c3)cccc3)2)1)O)O
M  END

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